Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3752385

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1nc(-c2cc3cc(NCc4ccccc4)cc(C#N)c3[nH]2)sc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3752385
Phase Preclinical
Structure Type MOL
InChI Key CYJYIJGTXKTSFA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
4.78
ALogP
5
HBA
3
HBD
101.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16N4O2S
MW 388.45
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.56

Activity Summary

IC50 1 meas. best 8.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.03 8.03 9.3 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.503 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 9.3 nM 8.03 Inhibition of butter milk xanthine oxidase (unknown origin) assessed as initial ... 26774578

Literature References

PubMed DOI Target Context # Activities
26774578 10.1016/j.bmcl.2015.12.055 Unchecked 1
26774578 10.1016/j.bmcl.2015.12.055 Liver microsome 1
26774578 10.1016/j.bmcl.2015.12.055 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine